5-(4-propylphenyl)-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane

C16H18F4O2 — CID 123339766

IUPAC5-(4-propylphenyl)-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane
SMILESCCCc1ccc(C2COC(C(F)=CC(F)(F)F)OC2)cc1
InChIInChI=1S/C16H18F4O2/c1-2-3-11-4-6-12(7-5-11)13-9-21-15(22-10-13)14(17)8-16(18,19)20/h4-8,13,15H,2-3,9-10H2,1H3
InChIKeyRBYXIISRRGQFBE-UHFFFAOYSA-N
MW318.31 g/mol
LogP4.51
Rot. Bonds4

About 5-(4-propylphenyl)-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane

5-(4-propylphenyl)-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane (PubChem CID 123339766) has the molecular formula C16H18F4O2 and a molecular weight of 318.31 g/mol. Its IUPAC name is 5-(4-propylphenyl)-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane.

Molecular Properties

Compound Name5-(4-propylphenyl)-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane
PubChem CID123339766
Molecular FormulaC16H18F4O2
Molecular Weight318.31 g/mol
Exact Mass318.12
IUPAC Name5-(4-propylphenyl)-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane
SMILESCCCc1ccc(C2COC(C(F)=CC(F)(F)F)OC2)cc1
InChIInChI=1S/C16H18F4O2/c1-2-3-11-4-6-12(7-5-11)13-9-21-15(22-10-13)14(17)8-16(18,19)20/h4-8,13,15H,2-3,9-10H2,1H3
InChIKeyRBYXIISRRGQFBE-UHFFFAOYSA-N
XLogP4.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-propyl-4-[2-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]phenyl]ethynyl]benzene
CID 123274036
3-(4-propylphenyl)oxetane
CID 130361103
5-[2-(4-propylcyclohexyl)ethyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane
CID 123381650
2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane
CID 70410242
1-propyl-4-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]ethyl]benzene
CID 123410663
2-(4-pent-4-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane
CID 139780584
2-(4-hex-5-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane
CID 139780813
1-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene
CID 123987060
5-(4-butylphenyl)-2-phenyl-1,3-dioxane
CID 141451860
2-butyl-5-(4-propylphenyl)oxane
CID 21247595
1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-[difluoro-(4-propylphenyl)methoxy]benzene
CID 22011585
1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene
CID 54484505

Frequently Asked Questions

What is the IUPAC name of 5-(4-propylphenyl)-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane?
The IUPAC name of 5-(4-propylphenyl)-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane (CID 123339766) is 5-(4-propylphenyl)-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane.
What is the SMILES notation for 5-(4-propylphenyl)-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane?
The canonical SMILES for 5-(4-propylphenyl)-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane is CCCc1ccc(C2COC(C(F)=CC(F)(F)F)OC2)cc1.
What is the InChIKey of 5-(4-propylphenyl)-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane?
The InChIKey is RBYXIISRRGQFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4O2/c1-2-3-11-4-6-12(7-5-11)13-9-21-15(22-10-13)14(17)8-16(18,19)20/h4-8,13,15H,2-3,9-10H2,1H3.
What are the key properties of 5-(4-propylphenyl)-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane?
5-(4-propylphenyl)-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane has a molecular weight of 318.31 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propylphenyl)-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane is sourced from PubChem (CID 123339766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).